1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide

C11H21NO — CID 170150593

IUPAC1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(C(C)(C)C)CC1(C)C
InChIInChI=1S/C11H21NO/c1-9(2,3)11(8(13)12-6)7-10(11,4)5/h7H2,1-6H3,(H,12,13)
InChIKeyDKEBLKFROYUQKB-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.19
Rot. Bonds1

About 1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide

1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide (PubChem CID 170150593) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide
PubChem CID170150593
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(C(C)(C)C)CC1(C)C
InChIInChI=1S/C11H21NO/c1-9(2,3)11(8(13)12-6)7-10(11,4)5/h7H2,1-6H3,(H,12,13)
InChIKeyDKEBLKFROYUQKB-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide?
The IUPAC name of 1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide (CID 170150593) is 1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide?
The canonical SMILES for 1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide is CNC(=O)C1(C(C)(C)C)CC1(C)C.
What is the InChIKey of 1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide?
The InChIKey is DKEBLKFROYUQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2,3)11(8(13)12-6)7-10(11,4)5/h7H2,1-6H3,(H,12,13).
What are the key properties of 1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide?
1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide has a molecular weight of 183.29 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N,2,2-trimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 170150593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).